N-[3-(4-chloranylpyrazol-1-yl)propyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[3-(4-chloranylpyrazol-1-yl)propyl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-(4-chloropyrazol-1-yl)propyl]-2-nitro-benzenesulfonamide CAS Name: N-[3-(4-chloro-1-pyrazolyl)propyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-chloropyrazol-1-yl)propyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-(4-chloropyrazol-1-yl)propyl]-2-nitro-benzenesulfonamide Formula: C12H13ClN4O4S MolecularWeight: 344.77402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2C=C(C=N2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2C=C(C=N2)Cl

InChI

InChI=1S/C12H13ClN4O4S/c13-10-8-14-16(9-10)7-3-6-15-22(20,21)12-5-2-1-4-11(12)17(18)19/h1-2,4-5,8-9,15H,3,6-7H2